TL;DR: (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate (CAS 102110-10-1) is a chemical compound with molecular formula C20H32O4 and molecular weight 336.23007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(butanoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl butanoate
Also Known As: (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate, [3-(butanoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl butanoate, Butanoic acid,(octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester (9CI), (Octahydro-1H-4,7-methanoindene-1,1-diyl)bis(methylene) dibutanoate, EINECS 310-007-3
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.23007 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.23007 Da |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
| SMILES | CCCC(=O)OCC1(CCC2C1C3CCC2C3)COC(=O)CCC |
| InChIKey | HPHBKSDLFUQCJC-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate is 102110-10-1.
The molecular formula of (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate is C20H32O4.
The molecular weight of (Octahydro-4,7-methano-1H-indenediyl)bis(methylene) dibutyrate is 336.23007 g/mol.
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